triethyl-(3-methyloxiran-2-yl)azanium chloride

C9H20ClNO — CID 19738444

IUPACtriethyl-(3-methyloxiran-2-yl)azanium chloride
SMILESCC[N+](CC)(CC)C1OC1C.[Cl-]
InChIInChI=1S/C9H20NO.ClH/c1-5-10(6-2,7-3)9-8(4)11-9;/h8-9H,5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyDBAJINDOLBPQML-UHFFFAOYSA-M
MW193.72 g/mol
LogP-1.39
Rot. Bonds4

About triethyl-(3-methyloxiran-2-yl)azanium chloride

triethyl-(3-methyloxiran-2-yl)azanium chloride (PubChem CID 19738444) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is triethyl-(3-methyloxiran-2-yl)azanium chloride.

Molecular Properties

Compound Nametriethyl-(3-methyloxiran-2-yl)azanium chloride
PubChem CID19738444
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Nametriethyl-(3-methyloxiran-2-yl)azanium chloride
SMILESCC[N+](CC)(CC)C1OC1C.[Cl-]
InChIInChI=1S/C9H20NO.ClH/c1-5-10(6-2,7-3)9-8(4)11-9;/h8-9H,5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyDBAJINDOLBPQML-UHFFFAOYSA-M
XLogP-1.39
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze triethyl-(3-methyloxiran-2-yl)azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triethyl-(3-methyloxiran-2-yl)azanium chloride?
The IUPAC name of triethyl-(3-methyloxiran-2-yl)azanium chloride (CID 19738444) is triethyl-(3-methyloxiran-2-yl)azanium chloride.
What is the SMILES notation for triethyl-(3-methyloxiran-2-yl)azanium chloride?
The canonical SMILES for triethyl-(3-methyloxiran-2-yl)azanium chloride is CC[N+](CC)(CC)C1OC1C.[Cl-].
What is the InChIKey of triethyl-(3-methyloxiran-2-yl)azanium chloride?
The InChIKey is DBAJINDOLBPQML-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20NO.ClH/c1-5-10(6-2,7-3)9-8(4)11-9;/h8-9H,5-7H2,1-4H3;1H/q+1;/p-1.
What are the key properties of triethyl-(3-methyloxiran-2-yl)azanium chloride?
triethyl-(3-methyloxiran-2-yl)azanium chloride has a molecular weight of 193.72 g/mol, XLogP of -1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(3-methyloxiran-2-yl)azanium chloride is sourced from PubChem (CID 19738444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).